CID 11020679
1-(1-bromoethyl)-4-nitrobenzene
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- CC(C1=CC=C(C=C1)[N+](=O)[O-])Br
- InChI
- InChI=1S/C8H8BrNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,1H3
- InChIKey
- LLTKPPRBFXTUKH-UHFFFAOYSA-N
- Compound name
- 1-(1-bromoethyl)-4-nitrobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 140.9 |
[M+Na]+ | 251.96307 | 144.8 |
[M+NH4]+ | 247.00767 | 146.0 |
[M+K]+ | 267.93701 | 147.1 |
[M-H]- | 227.96657 | 142.7 |
[M+Na-2H]- | 249.94852 | 144.5 |
[M]+ | 228.97330 | 140.7 |
[M]- | 228.97440 | 140.7 |